SCHEMBL15440376

SCHEMBL15440376

CC(C)Oc1cc(C(=O)O)c(C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PDK1 Q15118 1/20 0.40
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DTYMK P23919 1/20 0.38
HPSE Q9Y251 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1791669 0.85 ALDH1A1 (0.51) ALDH1A1PDK1AKR1C3AKR1C2KMT2A
SCHEMBL9107612 0.82 ALDH1A1 (0.63) ALDH1A1PDK1AKR1C3AKR1C2KMT2A
SCHEMBL6164746 0.82 ALDH1A1 (0.63) ALDH1A1PDK1AKR1C3AKR1C2KMT2A
SCHEMBL28440683 0.78 CA1 (0.46) ALDH1A1CA1CA2AKR1C3AKR1C2
SCHEMBL28440133 0.78 CA1 (0.43) ALDH1A1CA1CA2AKR1C3AKR1C2
SCHEMBL15440170 0.75 PDGFRB (0.45) ALDH1A1PDK1KMT2APOLBTSHR
SCHEMBL27749837 0.75 ALDH1A1 (0.57) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL9940716 0.73 ALDH1A1 (0.51) ALDH1A1PDK1KMT2ATSHRMAPT
SCHEMBL11072023 0.73 CA1 (0.69) ALDH1A1CA1CA2KMT2ATDP1
SCHEMBL11669352 0.72 CA1 (0.53) ALDH1A1CA1CA2KMT2APOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2877462-B1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORP (US) 2019-09-04 EP disclosed
US-9133161-B2 Processes for preparing isoindoline-1,3-dione compounds CELGENE CORPORATION (US) 2015-09-15 US disclosed
US-9133161-B2 Processes for preparing isoindoline-1,3-dione compounds CELGENE CORPORATION (US) 2015-09-15 US disclosed
US-9133161-B2 Processes for preparing isoindoline-1,3-dione compounds CELGENE CORPORATION (US) 2015-09-15 US disclosed
EP-2877462-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS Celgene Corporation (US) 2015-06-03 EP disclosed
US-20140031552-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORPORATION (US) 2014-01-30 US disclosed
WO-2014018866-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORPORATION (US) 2014-01-30 WO disclosed
US-20140031552-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORPORATION (US) 2014-01-30 US disclosed
US-20140031552-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORPORATION (US) 2014-01-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140031552-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS UGT1A1, CYP3A5, CYP3A7 ALDH1A1 347/4885CA1 3494/4885CA2 3512/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.